2,6-Dimethyl-pyridine-4-boronic acid

C₇H₁₀BNO₂CAS 846548-44-5150.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀BNO₂
Molar mass: 150.97 g/mol
Exact mass: 151.0805 Da
logP: -0.62Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

846548-44-5

SMILES

B(C1=CC(=NC(=C1)C)C)(O)O

InChIKey

ALGDKINLACWIRM-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,10-11H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2,6-Dimethylpyridin-4-yl)boronic acid

Work with 2,6-Dimethyl-pyridine-4-boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylpyridine-4-boronic acid579476-63-457 % similar 3,5-Dimethylphenylboronic acid172975-69-852 % similar 2-Methylpyridine-5-boronic acid659742-21-948 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-248 % similar 2,4,6-Trimethylpyridine108-75-846 % similar 5-Methylpyridine-3-boronic acid173999-18-343 % similar 6-Methylpyridine-2-boronic acid372963-50-343 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyridine-2-boronic acid dimethyl ester136805-54-4

Elsewhere

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